⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL28125097 | 0.82 | — | — | |
| SCHEMBL29435405 | 0.82 | — | — | |
| SCHEMBL1684080 | 0.82 | — | — | |
| Methylamine SCHEMBL29787221 | 0.80 | — | — | |
| SCHEMBL3671503 | 0.80 | — | — | |
| SCHEMBL6283396 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL28114291 | 0.80 | — | — | |
| SCHEMBL28598175 | 0.79 | — | — | |
| SCHEMBL8756387 | 0.79 | THRA (0.33) | — | |
| SCHEMBL8754774 | 0.79 | THRA (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103857706-B | Kinetic Modulation of Metallocene Catalysts | 埃克森美孚化学专利公司 | 2016-09-28 | — | — | CN | claimed |
| CN-106397636-B | The dynamics of metalloscene catalyst is modulated | 埃克森美孚化学专利公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-106397636-A | Dynamic modulation of metallocene catalysts | 埃克森美孚化学专利公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103857706-B | Kinetic Modulation of Metallocene Catalysts | 埃克森美孚化学专利公司 | 2016-09-28 | — | — | CN | disclosed |